ChemSpider 2D Image | (1S,4S,9R,10S,13R)-5,5,9,13-Tetramethyl-14,16-dioxatetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane | C18H30O2

(1S,4S,9R,10S,13R)-5,5,9,13-Tetramethyl-14,16-dioxatetracyclo[11.2.1.01,10.04,9]hexadecane

  • Molecular FormulaC18H30O2
  • Average mass278.430 Da
  • Monoisotopic mass278.224579 Da
  • ChemSpider ID68027267

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,4S,9R,10S,13R)-5,5,9,13-Tetramethyl-14,16-dioxatetracyclo[11.2.1.01,10.04,9]hexadecan [German] [ACD/IUPAC Name]
(1S,4S,9R,10S,13R)-5,5,9,13-Tetramethyl-14,16-dioxatetracyclo[11.2.1.01,10.04,9]hexadecane [ACD/IUPAC Name]
(1S,4S,9R,10S,13R)-5,5,9,13-Tétraméthyl-14,16-dioxatétracyclo[11.2.1.01,10.04,9]hexadécane [French] [ACD/IUPAC Name]
5H-3,5a-Epoxynaphth[2,1-c]oxepin, dodecahydro-3,8,8,11a-tetramethyl-, (3R,5aS,7aS,11aR,11bS)- [ACD/Index Name]
1153-35-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 300.9±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.9±3.0 kJ/mol
Flash Point: 122.3±12.8 °C
Index of Refraction: 1.521
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5067.80
ACD/KOC (pH 5.5): 15613.58
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5067.80
ACD/KOC (pH 7.4): 15613.58
Polar Surface Area: 18 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 265.0±5.0 cm3

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